TDR Targets

Basic information

Technical information

TDR Targets ID: 650149
Name: methyl 4-[(1,7,7-trimethyl-2-oxo3-oxabicyclo[ 2.2.1]heptane-4-carbonyl)amino]benzoate
MW: 331.363 | Formula: C18H21NO5
H donors: 1 H acceptors: 3 LogP: 2.51 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)NC(=O)C12CCC(C2(C)C)(C(=O)O1)C
InChi: 1S/C18H21NO5/c1-16(2)17(3)9-10-18(16,24-15(17)22)14(21)19-12-7-5-11(6-8-12)13(20)23-4/h5-8H,9-10H2,1-4H3,(H,19,21)
InChiKey: NEJXBAANLOXDNA-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

methyl 4-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]benzoate
4-[[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methyl]amino]benzoic acid methyl ester
4-[(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]benzoic acid methyl ester
methyl 4-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)carbonylamino]benzoate
ChemDiv1_022479
Oprea1_540637
Oprea1_821509
MLS000110408
SMR000106338

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0028	0.0131	0.0177
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0098	0.1113	0.1128
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0074	0.077	0.1041
Echinococcus granulosus	dnaJ subfamily B	0.072	0.9869	1
Mycobacterium ulcerans	pyruvate carboxylase	0.0207	0.265	1
Echinococcus multilocularis	histone deacetylase 6	0.0069	0.0701	0.0701
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0074	0.077	0.2905
Echinococcus granulosus	mothers against decapentaplegic 5	0.0021	0.003	0.003
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0051	0.0443	0.0622
Schistosoma mansoni	hypothetical protein	0.072	0.9869	1
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0074	0.077	0.077
Brugia malayi	Smad1	0.0021	0.003	0.0042
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0098	0.1113	0.1128
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0433	0.5828	0.818
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0082	0.0887	0.1245
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0207	0.265	1
Echinococcus multilocularis	Smad4	0.0021	0.003	0.003
Plasmodium falciparum	histone deacetylase, putative	0.0069	0.0701	0.1329
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0028	0.0131	0.0268
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0074	0.077	0.1581
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0028	0.0131	0.0131
Echinococcus granulosus	histone deacetylase 7	0.0069	0.0701	0.0711
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0207	0.265	0.2685
Schistosoma mansoni	hypothetical protein	0.0098	0.1113	0.1128
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0047	0.0391	0.0742
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0021	0.003	0.003
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0074	0.077	0.2905
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0544	0.7393	1
Echinococcus multilocularis	microtubule associated protein 2	0.0559	0.7608	0.7608
Schistosoma mansoni	hypothetical protein	0.0098	0.1113	0.1128
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.031	0.4098	0.5752
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0394	0.5276	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0433	0.5828	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0028	0.0131	0.0131
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0544	0.7393	0.7491
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0082	0.0887	0.0899
Brugia malayi	Isocitrate dehydrogenase	0.0028	0.0131	0.0183
Echinococcus granulosus	histone deacetylase 6	0.0069	0.0701	0.0711
Trichomonas vaginalis	glucosylceramidase, putative	0.0299	0.3947	0.443
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.0047	0.0391	0.1476
Brugia malayi	isocitrate dehydrogenase	0.0028	0.0131	0.0183
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0025	0.0088	0.0088
Echinococcus multilocularis	isocitrate dehydrogenase	0.0028	0.0131	0.0131
Schistosoma mansoni	cpg binding protein	0.0053	0.0484	0.049
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0207	0.265	0.3584
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0025	0.0088	0.0089
Echinococcus granulosus	smad	0.0021	0.003	0.003
Echinococcus granulosus	histone deacetylase	0.0069	0.0701	0.0711
Schistosoma mansoni	smad1 5 8 and	0.0021	0.003	0.003
Trypanosoma cruzi	histone deacetylase, putative	0.0069	0.0701	0.144
Schistosoma mansoni	hypothetical protein	0.0098	0.1113	0.1128
Onchocerca volvulus		0.0051	0.0443	0.0976
Toxoplasma gondii	isocitrate dehydrogenase	0.0028	0.0131	0.0177
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0082	0.0887	0.0887
Trypanosoma brucei	histone deacetylase, putative	0.0069	0.0701	0.0949
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0023	0.006	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0701	0.0985
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0028	0.0131	0.0183
Trichomonas vaginalis	glucosylceramidase, putative	0.0433	0.5828	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0433	0.5828	1
Brugia malayi	CXXC zinc finger family protein	0.0051	0.0443	0.0622
Echinococcus multilocularis	histone deacetylase 6	0.0069	0.0701	0.0701
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0108	0.1254	0.1271
Schistosoma mansoni	smad1 5 8 and	0.0021	0.003	0.003
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0207	0.265	0.5442
Echinococcus multilocularis	dnaJ subfamily B	0.072	0.9869	0.9869
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0082	0.0887	0.0899
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0098	0.1113	0.1113
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0028	0.0131	0.0268
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0074	0.077	0.2905
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2163	0.2926
Mycobacterium ulcerans	hypothetical protein	0.0192	0.2438	0.92
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0082	0.0887	0.0899
Schistosoma mansoni	smad	0.0021	0.003	0.003
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0028	0.0131	0.0131
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.2438	0.92
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0207	0.265	0.3584
Brugia malayi	Histone deacetylase family protein	0.0069	0.0701	0.0985
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0525	0.7125	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0454	0.0933
Trypanosoma cruzi	histone deacetylase, putative	0.0069	0.0701	0.144
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0074	0.077	0.1581
Toxoplasma gondii	pyruvate carboxylase	0.0207	0.265	0.3584
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0028	0.0131	0.0131
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.0047	0.0391	0.0803
Leishmania major	acetyl-CoA carboxylase, putative	0.0544	0.7393	1
Schistosoma mansoni	microtubule-associated protein tau	0.0559	0.7608	0.771
Brugia malayi	Pre-SET motif family protein	0.0025	0.0088	0.0123
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0025	0.0088	0.0089
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0207	0.265	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.3731	0.3792
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0047	0.0391	0.0396
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0074	0.077	0.2905
Plasmodium vivax	histone deacetylase 2, putative	0.0069	0.0701	0.1329
Leishmania major	mitochondrial DNA polymerase beta	0.0365	0.487	0.6587
Schistosoma mansoni	hypothetical protein	0.0098	0.1113	0.1128
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0074	0.077	0.2905
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0207	0.265	0.3584
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0025	0.0088	0.0088
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0074	0.077	0.2905
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.3731	0.3792
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0074	0.077	0.078
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0021	0.003	0.003
Trypanosoma brucei	acetyl-CoA carboxylase	0.0544	0.7393	1
Trypanosoma brucei	unspecified product	0.0136	0.165	0.2232
Loa Loa (eye worm)	MH1 domain-containing protein	0.0021	0.003	0.0042
Brugia malayi	latrophilin 2 splice variant baaae	0.0212	0.2717	0.3813
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0074	0.077	0.078
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0021	0.003	0.003
Schistosoma mansoni	cpg binding protein	0.0053	0.0484	0.049
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0028	0.0131	0.0493
Brugia malayi	MH1 domain containing protein	0.0021	0.003	0.0042
Schistosoma mansoni	hypothetical protein	0.0604	0.8234	0.8344
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0454	0.0933
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0028	0.0131	0.0177
Brugia malayi	MH2 domain containing protein	0.0021	0.003	0.0042
Plasmodium vivax	histone deacetylase, putative	0.0069	0.0701	0.1329
Brugia malayi	Latrophilin receptor protein 2	0.0098	0.1113	0.1563
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	0.487	0.6587
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0454	0.0933
Loa Loa (eye worm)	transcription factor SMAD2	0.0311	0.4109	0.5768
Loa Loa (eye worm)	Smad1	0.0021	0.003	0.0042
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0207	0.265	1
Echinococcus granulosus	histone deacetylase 6	0.0069	0.0701	0.0711
Chlamydia trachomatis	biotin carboxylase	0.0188	0.2381	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0612	0.1257
Schistosoma mansoni	histone deacetylase 4 5	0.0069	0.0701	0.0711
Plasmodium falciparum	carbamoyl phosphate synthetase	0.0047	0.0391	0.0742
Brugia malayi	Histone deacetylase family protein	0.0069	0.0701	0.0985
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0098	0.1113	0.1563
Brugia malayi	MH1 domain containing protein	0.0021	0.003	0.0042
Toxoplasma gondii	isocitrate dehydrogenase	0.0028	0.0131	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0701	0.0985
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0025	0.0088	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0088	0.0123
Schistosoma mansoni	hypothetical protein	0.0604	0.8234	0.8344
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0028	0.0131	0.0248
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0098	0.1113	0.1113
Echinococcus granulosus	histone lysine methyltransferase setb	0.0025	0.0088	0.0089
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0025	0.0088	0.0119
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.0047	0.0391	0.0529
Schistosoma mansoni	histone deacetylase hda2	0.0069	0.0701	0.0711
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0074	0.077	0.2905
Brugia malayi	MH2 domain containing protein	0.0021	0.003	0.0042
Brugia malayi	Calcitonin receptor-like protein seb-1	0.031	0.4098	0.5752
Onchocerca volvulus	Glucosylceramidase homolog	0.0284	0.3731	1
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0074	0.077	0.3233
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0082	0.0887	0.1245
Echinococcus granulosus	GPCR family 2	0.0098	0.1113	0.1128
Echinococcus multilocularis	histone deacetylase 7	0.0069	0.0701	0.0701
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0082	0.0887	0.0899
Trichomonas vaginalis	glucosylceramidase, putative	0.0299	0.3947	0.443
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0074	0.077	0.1041
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0544	0.7393	0.7393
Leishmania major	histone deacetylase, putative	0.0069	0.0701	0.0949
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0337	0.4475	0.9189
Loa Loa (eye worm)	histone deacetylase	0.0069	0.0701	0.0985
Schistosoma mansoni	aspartate carbamoyltransferase	0.0047	0.0391	0.0396
Loa Loa (eye worm)	histone deacetylase 7A	0.0069	0.0701	0.0985
Brugia malayi	Pre-SET motif family protein	0.017	0.2123	0.298
Echinococcus multilocularis	cpg binding protein	0.0053	0.0484	0.0484
Schistosoma mansoni	cpg binding protein	0.0051	0.0443	0.0449
Schistosoma mansoni	hypothetical protein	0.0212	0.2717	0.2753
Treponema pallidum	pyruvate carboxylase subunit B	0.0019	0	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.2163	0.2926
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0093	0.1038	0.5
Brugia malayi	Carboxyl transferase domain containing protein	0.0525	0.7125	1
Schistosoma mansoni	smad1 5 8 and	0.0021	0.003	0.003
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0207	0.265	0.2685
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0082	0.0887	0.0887
Trichomonas vaginalis	glucosylceramidase, putative	0.0433	0.5828	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.3731	0.3792
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0074	0.077	0.2905
Echinococcus granulosus	geminin	0.0604	0.8234	0.8344
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.031	0.4098	0.5752
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0098	0.1113	0.1563
Schistosoma mansoni	Smad4	0.0021	0.003	0.003
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.487	1
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0207	0.265	0.2685
Toxoplasma gondii	hypothetical protein	0.0059	0.056	0.0758
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0028	0.0131	0.0248
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0074	0.077	0.2905
Trichomonas vaginalis	glucosylceramidase, putative	0.0433	0.5828	1
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0207	0.265	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	0.487	1
Echinococcus granulosus	cpg binding protein	0.0053	0.0484	0.049
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0433	0.5828	0.818
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0074	0.077	0.2905
Brugia malayi	MH2 domain containing protein	0.0311	0.4109	0.5768
Schistosoma mansoni	pyruvate carboxylase	0.0207	0.265	0.2685
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.0047	0.0391	0.0803
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0047	0.0391	0.1476
Echinococcus granulosus	microtubule associated protein 2	0.0559	0.7608	0.771
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0047	0.0391	0.0396
Trypanosoma brucei	histone deacetylase 4	0.0069	0.0701	0.0949
Toxoplasma gondii	carbamoylphosphate synthetase	0.0047	0.0391	0.0529
Trypanosoma cruzi	histone deacetylase, putative	0.0069	0.0701	0.144
Echinococcus granulosus	Smad4	0.0021	0.003	0.003
Echinococcus multilocularis	geminin	0.0604	0.8234	0.8234
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0207	0.265	1
Onchocerca volvulus		0.0193	0.2451	0.6486
Toxoplasma gondii	histone deacetylase HDAC1	0.0069	0.0701	0.0949
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0028	0.0131	0.0177
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0207	0.265	1
Leishmania major	histone deacetylase, putative	0.0069	0.0701	0.0949
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.3731	0.3792
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0021	0.003	0.003
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.3731	0.3792
Trypanosoma brucei	histone deacetylase 3	0.0069	0.0701	0.0949
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0207	0.265	1
Leishmania major	carboxylase, putative	0.0207	0.265	0.3584
Loa Loa (eye worm)	MH2 domain-containing protein	0.0021	0.003	0.0042
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0074	0.077	0.1581
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0097	0.1093	0.1478
Echinococcus granulosus	histone deacetylase 6	0.0069	0.0701	0.0711
Loa Loa (eye worm)	MH2 domain-containing protein	0.0311	0.4109	0.5768
Schistosoma mansoni	acetyl-CoA carboxylase	0.0544	0.7393	0.7491
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0028	0.0131	0.0132
Plasmodium falciparum	histone deacetylase 2	0.0069	0.0701	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0212	0.2717	0.3813
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.0454	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1113	0.1563
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0207	0.265	0.265
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0093	0.1038	0.5
Leishmania major	carbamoyl-phosphate synthase, putative	0.0047	0.0391	0.0529
Trichomonas vaginalis	glucosylceramidase, putative	0.0433	0.5828	1
Echinococcus multilocularis	GPCR, family 2	0.0098	0.1113	0.1113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0082	0.0887	0.0899
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0074	0.077	0.2905
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0394	0.5276	1
Schistosoma mansoni	histone deacetylase 4 5	0.0069	0.0701	0.0711
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0207	0.265	0.5442
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2163	0.4442
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0074	0.077	0.2905
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.017	0.2123	0.298
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.3731	0.3792
Loa Loa (eye worm)	hypothetical protein	0.031	0.4098	0.5752
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0025	0.0088	0.0089
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0074	0.077	0.1041
Echinococcus multilocularis	smad	0.0021	0.003	0.003
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0544	0.7393	1
Plasmodium vivax	SET domain protein, putative	0.0025	0.0088	0.0167
Echinococcus multilocularis	histone deacetylase	0.0069	0.0701	0.0701
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0028	0.0131	0.0132
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0074	0.077	0.1041
Trichomonas vaginalis	glucosylceramidase, putative	0.0284	0.3731	0.3792
Echinococcus multilocularis	histone deacetylase 6	0.0069	0.0701	0.0701

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2936 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.6964 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	95.2834 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1488721
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 650149